6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one

C23H26N2O3 — CID 69083628

IUPAC6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cc2ccccc2n1C
InChIInChI=1S/C23H26N2O3/c1-24-17(14-16-8-4-5-9-18(16)24)15-25-19(10-6-13-22(25)26)23-20(27-2)11-7-12-21(23)28-3/h4-5,7-9,11-12,14,19H,6,10,13,15H2,1-3H3
InChIKeyNSZOOLJZICMMOL-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.45
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one (PubChem CID 69083628) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one
PubChem CID69083628
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cc2ccccc2n1C
InChIInChI=1S/C23H26N2O3/c1-24-17(14-16-8-4-5-9-18(16)24)15-25-19(10-6-13-22(25)26)23-20(27-2)11-7-12-21(23)28-3/h4-5,7-9,11-12,14,19H,6,10,13,15H2,1-3H3
InChIKeyNSZOOLJZICMMOL-UHFFFAOYSA-N
XLogP4.45
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 56657802
3-(1-ethyl-1H-indol-3-yl)-N-(2-methoxybenzyl)propanamide
CID 16019095
(R)-2-(7-(2-(4-methoxyphenyl)-N-methylacetamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
CID 54585608
6-(2,6-Dimethoxyphenyl)-1-((2-phenylpyridin-4-yl)methyl)piperidin-2-one
CID 69080156
6-(2,6-Dimethoxyphenyl)-1-(3-(pyridin-2-yl)benzyl)piperidin-2-one
CID 69081570
6-(2,6-Dimethoxyphenyl)-1-(quinolin-2-ylmethyl)piperidin-2-one
CID 69081964
6-(2,6-Dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
CID 69082681
6-(2,6-Dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one
CID 69084152
6-(2,6-Dimethoxyphenyl)-1-((6-phenylpyridin-2-yl)methyl)piperidin-2-one
CID 69085726
N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 71144572
(E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
CID 71499436
N-(2,4-dimethoxybenzyl)-2-(1-methyl-1H-indol-3-yl)acetamide
CID 4523542

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one (CID 69083628) is 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cc2ccccc2n1C.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one?
The InChIKey is NSZOOLJZICMMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-24-17(14-16-8-4-5-9-18(16)24)15-25-19(10-6-13-22(25)26)23-20(27-2)11-7-12-21(23)28-3/h4-5,7-9,11-12,14,19H,6,10,13,15H2,1-3H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one has a molecular weight of 378.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[(1-methylindol-2-yl)methyl]piperidin-2-one is sourced from PubChem (CID 69083628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).